1-butoxy-N,N-dimethyl-1-phenylmethanamine

C13H21NO — CID 11183372

IUPAC1-butoxy-N,N-dimethyl-1-phenylmethanamine
SMILESCCCCOC(c1ccccc1)N(C)C
InChIInChI=1S/C13H21NO/c1-4-5-11-15-13(14(2)3)12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3
InChIKeyANIPOZYTAPDGJL-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.06
Rot. Bonds6

About 1-butoxy-N,N-dimethyl-1-phenylmethanamine

1-butoxy-N,N-dimethyl-1-phenylmethanamine (PubChem CID 11183372) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-butoxy-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-butoxy-N,N-dimethyl-1-phenylmethanamine
PubChem CID11183372
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-butoxy-N,N-dimethyl-1-phenylmethanamine
SMILESCCCCOC(c1ccccc1)N(C)C
InChIInChI=1S/C13H21NO/c1-4-5-11-15-13(14(2)3)12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3
InChIKeyANIPOZYTAPDGJL-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[chloro(pentoxy)methyl]benzene
CID 141305175
1-pentoxypropylbenzene
CID 57033372
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
didecoxymethylbenzene
CID 150039155
3-butoxy-3-phenylpropan-1-amine
CID 114998461
1,3-dibutoxybutylbenzene
CID 22372610
1-pentoxyethylbenzene;hydrate
CID 174634303
1-pentoxybutylbenzene
CID 173061669
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
1-dodecoxyhexylbenzene
CID 174774790
nonoxy(phenyl)methanol
CID 70405769
octadecoxy(phenyl)methanol
CID 141167921

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1-butoxy-N,N-dimethyl-1-phenylmethanamine (CID 11183372) is 1-butoxy-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1-butoxy-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1-butoxy-N,N-dimethyl-1-phenylmethanamine is CCCCOC(c1ccccc1)N(C)C.
What is the InChIKey of 1-butoxy-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is ANIPOZYTAPDGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-11-15-13(14(2)3)12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3.
What are the key properties of 1-butoxy-N,N-dimethyl-1-phenylmethanamine?
1-butoxy-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 11183372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).